N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine

Systemtic Name: N-[(5-chloranyl-2-ethoxy-phenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(5-chloro-2-ethoxy-phenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(5-chloro-2-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (5-chloro-2-ethoxy-benzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C14H20ClN5OS MolecularWeight: 341.8595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NN=NN2C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)CNCCCSC2=NN=NN2C

InChI

InChI=1S/C14H20ClN5OS/c1-3-21-13-6-5-12(15)9-11(13)10-16-7-4-8-22-14-17-18-19-20(14)2/h5-6,9,16H,3-4,7-8,10H2,1-2H3